SCHEMBL21703075

SCHEMBL21703075

CCNc1cccn(Cc2nc3c(CC(C)C)c(F)cc(F)c3n2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21685392 0.89 MAP4K1 (0.45) MAP4K1
SCHEMBL21685778 0.85 MAP4K1 (0.42) MAP4K1
SCHEMBL25938992 0.83 MAP4K1 (0.49) MAP4K1
SCHEMBL21685486 0.81 MAP4K1 (0.68) MAP4K1
SCHEMBL24859739 0.80 MAP4K1 (0.62) MAP4K1
SCHEMBL21684103 0.79 MAP4K1 (0.80) MAP4K1
SCHEMBL21684099 0.79 MAP4K1 (0.80) MAP4K1
SCHEMBL21703190 0.78 MAP4K1 (0.44) MAP4K1
SCHEMBL21702919 0.76 MAP4K1 (0.43) MAP4K1
SCHEMBL21703141 0.75 MAP4K1 (0.47) MAP4K1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed